CID 22019754

Irgacure 127

Structural Information

Molecular Formula
C21H24O4
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C(C)(C)O)O
InChI
InChI=1S/C21H24O4/c1-20(2,24)18(22)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(23)21(3,4)25/h5-12,24-25H,13H2,1-4H3
InChIKey
PCKZAVNWRLEHIP-UHFFFAOYSA-N
Compound name
2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16211
Patents

340.16745 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.174726 180.0
[M+Na]+ 363.156668 184.9
[M-H]- 339.160174 183.8
[M+NH4]+ 358.201273 191.8
[M+K]+ 379.130608 181.4
[M+H-H2O]+ 323.164710 173.3
[M+HCOO]- 385.165651 195.0
[M+CH3COO]- 399.181301 209.5
[M+Na-2H]- 361.142116 181.9
[M]+ 340.16690142 180.8
[M]- 340.16799858 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe