CID 362323

Nsc625959

Structural Information

Molecular Formula
C19H13F3O4
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H13F3O4/c1-9-7-13-14(23)8-15(26-17(13)16(10(9)2)18(24)25)11-3-5-12(6-4-11)19(20,21)22/h3-8H,1-2H3,(H,24,25)
InChIKey
KHTNAMUYXJAPGK-UHFFFAOYSA-N
Compound name
6,7-dimethyl-4-oxo-2-[4-(trifluoromethyl)phenyl]chromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

362.0766 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08388 180.0
[M+Na]+ 385.06582 191.5
[M-H]- 361.06932 184.5
[M+NH4]+ 380.11042 192.2
[M+K]+ 401.03976 187.3
[M+H-H2O]+ 345.07386 169.9
[M+HCOO]- 407.07480 195.1
[M+CH3COO]- 421.09045 215.3
[M+Na-2H]- 383.05127 182.4
[M]+ 362.07605 180.6
[M]- 362.07715 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe