CID 90330834

(5-amino-2-fluoro-4-methylphenyl)methanol

Structural Information

Molecular Formula
C8H10FNO
SMILES
CC1=CC(=C(C=C1N)CO)F
InChI
InChI=1S/C8H10FNO/c1-5-2-7(9)6(4-11)3-8(5)10/h2-3,11H,4,10H2,1H3
InChIKey
PSCOIECOHNHQAE-UHFFFAOYSA-N
Compound name
(5-amino-2-fluoro-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

155.07465 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 129.3
[M+Na]+ 178.063868 138.7
[M-H]- 154.067374 130.8
[M+NH4]+ 173.108473 149.9
[M+K]+ 194.037808 135.9
[M+H-H2O]+ 138.071910 123.5
[M+HCOO]- 200.072851 152.2
[M+CH3COO]- 214.088501 178.0
[M+Na-2H]- 176.049316 134.1
[M]+ 155.07410142 126.6
[M]- 155.07519858 126.6
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