CID 3277823

2-fluoro-5-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
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 121.9
[M+Na]+ 161.03732 132.0
[M-H]- 137.04082 125.1
[M+NH4]+ 156.08192 144.2
[M+K]+ 177.01126 130.0
[M+H-H2O]+ 121.04536 116.2
[M+HCOO]- 183.04630 146.3
[M+CH3COO]- 197.06195 174.4
[M+Na-2H]- 159.02277 129.0
[M]+ 138.04755 121.9
[M]- 138.04865 121.9
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