CID 177798655

3-(chlorodifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H5ClF2O
SMILES
C1=CC(=CC(=C1)C(F)(F)Cl)C=O
InChI
InChI=1S/C8H5ClF2O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
InChIKey
BWTZKGHIPPLKIL-UHFFFAOYSA-N
Compound name
3-[chloro(difluoro)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.9997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006976 131.3
[M+Na]+ 212.988918 141.7
[M-H]- 188.992424 132.8
[M+NH4]+ 208.033523 152.0
[M+K]+ 228.962858 137.5
[M+H-H2O]+ 172.996960 125.5
[M+HCOO]- 234.997901 148.4
[M+CH3COO]- 249.013551 180.2
[M+Na-2H]- 210.974366 138.5
[M]+ 189.99915142 131.2
[M]- 190.00024858 131.2
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.