CID 43617279

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

Structural Information

Molecular Formula
C8H8FN5
SMILES
CC1=NN=NN1C2=CC(=C(C=C2)F)N
InChI
InChI=1S/C8H8FN5/c1-5-11-12-13-14(5)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
InChIKey
AFLSVSVRFYNQKC-UHFFFAOYSA-N
Compound name
2-fluoro-5-(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 139.1
[M+Na]+ 216.06559 150.5
[M-H]- 192.06909 140.0
[M+NH4]+ 211.11019 154.9
[M+K]+ 232.03953 146.4
[M+H-H2O]+ 176.07363 129.1
[M+HCOO]- 238.07457 160.3
[M+CH3COO]- 252.09022 151.9
[M+Na-2H]- 214.05104 144.4
[M]+ 193.07582 137.5
[M]- 193.07692 137.5
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.