CID 1598171

329779-37-5

Structural Information

Molecular Formula
C13H8F5NO
SMILES
C1=CC=C(C(=C1)CNC2=C(C(=C(C(=C2F)F)F)F)F)O
InChI
InChI=1S/C13H8F5NO/c14-8-9(15)11(17)13(12(18)10(8)16)19-5-6-3-1-2-4-7(6)20/h1-4,19-20H,5H2
InChIKey
KITIVVCYGUAUMA-UHFFFAOYSA-N
Compound name
2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05988 157.3
[M+Na]+ 312.04182 168.9
[M-H]- 288.04532 157.5
[M+NH4]+ 307.08642 172.7
[M+K]+ 328.01576 162.6
[M+H-H2O]+ 272.04986 146.1
[M+HCOO]- 334.05080 176.1
[M+CH3COO]- 348.06645 204.3
[M+Na-2H]- 310.02727 158.2
[M]+ 289.05205 151.5
[M]- 289.05315 151.5
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

No patent data available for this compound.