CID 2783142

2-fluoro-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7FO
SMILES
CC1=C(C(=CC=C1)C=O)F
InChI
InChI=1S/C8H7FO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChIKey
CERGYJCALDGESV-UHFFFAOYSA-N
Compound name
2-fluoro-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

138.0481 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05538 125.8
[M+Na]+ 161.03732 139.4
[M+NH4]+ 156.08192 134.6
[M+K]+ 177.01126 132.4
[M-H]- 137.04082 127.2
[M+Na-2H]- 159.02277 133.1
[M]+ 138.04755 128.1
[M]- 138.04865 128.1
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