CID 71563489

1171930-26-9

Structural Information

Molecular Formula
C7H6FN5
SMILES
C1=CC(=C(C=C1N)F)C2=NNN=N2
InChI
InChI=1S/C7H6FN5/c8-6-3-4(9)1-2-5(6)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKey
QKLSISJWXCLYLL-UHFFFAOYSA-N
Compound name
3-fluoro-4-(2H-tetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.06073 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06801 134.3
[M+Na]+ 202.04995 144.7
[M-H]- 178.05345 133.7
[M+NH4]+ 197.09455 149.7
[M+K]+ 218.02389 140.1
[M+H-H2O]+ 162.05799 124.5
[M+HCOO]- 224.05893 154.4
[M+CH3COO]- 238.07458 146.5
[M+Na-2H]- 200.03540 140.5
[M]+ 179.06018 130.1
[M]- 179.06128 130.1
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