CID 2778471

2-fluoro-4-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

469
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

No literature data available for this compound.

Patent stripe

patents stripe