CID 130497381

1-azido-2-fluoro-3-methylbenzene

Structural Information

Molecular Formula
C7H6FN3
SMILES
CC1=C(C(=CC=C1)N=[N+]=[N-])F
InChI
InChI=1S/C7H6FN3/c1-5-3-2-4-6(7(5)8)10-11-9/h2-4H,1H3
InChIKey
GGHZCSREJZJCAN-UHFFFAOYSA-N
Compound name
1-azido-2-fluoro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.05458 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06186 124.7
[M+Na]+ 174.04380 133.6
[M-H]- 150.04730 130.4
[M+NH4]+ 169.08840 146.4
[M+K]+ 190.01774 127.7
[M+H-H2O]+ 134.05184 122.3
[M+HCOO]- 196.05278 155.7
[M+CH3COO]- 210.06843 180.3
[M+Na-2H]- 172.02925 135.4
[M]+ 151.05403 121.7
[M]- 151.05513 121.7
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

No patent data available for this compound.