CID 43617272

4-fluoro-3-(5-methyl-1h-1,2,3,4-tetrazol-1-yl)aniline

Structural Information

Molecular Formula
C8H8FN5
SMILES
CC1=NN=NN1C2=C(C=CC(=C2)N)F
InChI
InChI=1S/C8H8FN5/c1-5-11-12-13-14(5)8-4-6(10)2-3-7(8)9/h2-4H,10H2,1H3
InChIKey
FWEKNWHWVBFMIR-UHFFFAOYSA-N
Compound name
4-fluoro-3-(5-methyltetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07637 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08365 138.7
[M+Na]+ 216.06559 151.2
[M+NH4]+ 211.11019 145.0
[M+K]+ 232.03953 147.8
[M-H]- 192.06909 139.1
[M+Na-2H]- 214.05104 145.9
[M]+ 193.07582 140.3
[M]- 193.07692 140.3
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

No patent data available for this compound.