CID 90284884

(4-azido-2-fluorophenyl)methanol

Structural Information

Molecular Formula
C7H6FN3O
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])F)CO
InChI
InChI=1S/C7H6FN3O/c8-7-3-6(10-11-9)2-1-5(7)4-12/h1-3,12H,4H2
InChIKey
KPMSQZOFSBOCHG-UHFFFAOYSA-N
Compound name
(4-azido-2-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.04948 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05676 127.9
[M+Na]+ 190.03870 136.2
[M-H]- 166.04220 132.2
[M+NH4]+ 185.08330 148.1
[M+K]+ 206.01264 129.8
[M+H-H2O]+ 150.04674 125.5
[M+HCOO]- 212.04768 157.6
[M+CH3COO]- 226.06333 179.4
[M+Na-2H]- 188.02415 138.2
[M]+ 167.04893 124.4
[M]- 167.05003 124.4
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