CID 58292849

Schembl12581672

Structural Information

Molecular Formula
C8H7FO2
SMILES
CC1=CC(=C(C(=C1)F)C=O)O
InChI
InChI=1S/C8H7FO2/c1-5-2-7(9)6(4-10)8(11)3-5/h2-4,11H,1H3
InChIKey
GHAYIRTWESUCAC-UHFFFAOYSA-N
Compound name
2-fluoro-6-hydroxy-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.04301 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 125.4
[M+Na]+ 177.03223 136.0
[M-H]- 153.03573 127.6
[M+NH4]+ 172.07683 146.6
[M+K]+ 193.00617 133.5
[M+H-H2O]+ 137.04027 120.0
[M+HCOO]- 199.04121 148.5
[M+CH3COO]- 213.05686 174.9
[M+Na-2H]- 175.01768 131.2
[M]+ 154.04246 125.3
[M]- 154.04356 125.3
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