CID 61679190

1247241-42-4

Structural Information

Molecular Formula
C7H6FN5
SMILES
C1=CC(=C(C=C1N)F)N2C=NN=N2
InChI
InChI=1S/C7H6FN5/c8-6-3-5(9)1-2-7(6)13-4-10-11-12-13/h1-4H,9H2
InChIKey
KEPYOHGQCARXKC-UHFFFAOYSA-N
Compound name
3-fluoro-4-(tetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 133.9
[M+Na]+ 202.049948 144.7
[M-H]- 178.053454 134.5
[M+NH4]+ 197.094553 149.9
[M+K]+ 218.023888 140.9
[M+H-H2O]+ 162.057990 123.7
[M+HCOO]- 224.058931 155.4
[M+CH3COO]- 238.074581 146.7
[M+Na-2H]- 200.035396 140.4
[M]+ 179.06018142 131.4
[M]- 179.06127858 131.4
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