CID 2782749

3-chloro-5-fluoro-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4ClFO2
SMILES
C1=C(C=C(C(=C1C=O)O)Cl)F
InChI
InChI=1S/C7H4ClFO2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,11H
InChIKey
VHXIEGGPMOEWNK-UHFFFAOYSA-N
Compound name
3-chloro-5-fluoro-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

173.98839 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.995666 126.2
[M+Na]+ 196.977608 137.9
[M-H]- 172.981114 128.3
[M+NH4]+ 192.022213 147.4
[M+K]+ 212.951548 133.7
[M+H-H2O]+ 156.985650 121.8
[M+HCOO]- 218.986591 145.0
[M+CH3COO]- 233.002241 175.8
[M+Na-2H]- 194.963056 132.1
[M]+ 173.98784142 127.7
[M]- 173.98893858 127.7
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