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]+ 180.068006 134.3
[M+Na]+ 202.049948 144.7
[M-H]- 178.053454 133.7
[M+NH4]+ 197.094553 149.7
[M+K]+ 218.023888 140.1
[M+H-H2O]+ 162.057990 124.5
[M+HCOO]- 224.058931 154.4
[M+CH3COO]- 238.074581 146.5
[M+Na-2H]- 200.035396 140.5
[M]+ 179.06018142 130.1
[M]- 179.06127858 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