CID 517978

2-fluoro-3-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H4F4O
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)F)C=O
InChI
InChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChIKey
XDMZVNQKVMTCSP-UHFFFAOYSA-N
Compound name
2-fluoro-3-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

536
Patents

192.01982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02710 131.1
[M+Na]+ 215.00904 141.8
[M-H]- 191.01254 130.4
[M+NH4]+ 210.05364 151.0
[M+K]+ 230.98298 138.8
[M+H-H2O]+ 175.01708 122.9
[M+HCOO]- 237.01802 150.5
[M+CH3COO]- 251.03367 182.6
[M+Na-2H]- 212.99449 136.8
[M]+ 192.01927 126.7
[M]- 192.02037 126.7
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