CID 2737377

Benzenecarboximidamide, 3-fluoro-4-methyl-, hydrochloride (1:1)

Structural Information

Molecular Formula
C8H9FN2
SMILES
CC1=C(C=C(C=C1)C(=N)N)F
InChI
InChI=1S/C8H9FN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11)
InChIKey
PWQHQNWOXBOOTJ-UHFFFAOYSA-N
Compound name
3-fluoro-4-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

101
Patents

152.07498 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.08226 129.2
[M+Na]+ 175.06420 137.4
[M-H]- 151.06770 131.8
[M+NH4]+ 170.10880 149.9
[M+K]+ 191.03814 134.7
[M+H-H2O]+ 135.07224 122.8
[M+HCOO]- 197.07318 153.7
[M+CH3COO]- 211.08883 182.3
[M+Na-2H]- 173.04965 134.2
[M]+ 152.07443 124.5
[M]- 152.07553 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe