CID 2737375

3-fluoro-n-hydroxy-4-methylbenzamidine

Structural Information

Molecular Formula
C8H9FN2O
SMILES
CC1=C(C=C(C=C1)C(=NO)N)F
InChI
InChI=1S/C8H9FN2O/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKey
RCNTZYAQXVFCBQ-UHFFFAOYSA-N
Compound name
3-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

50
Patents

168.06989 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07717 132.6
[M+Na]+ 191.05911 140.8
[M-H]- 167.06261 135.2
[M+NH4]+ 186.10371 152.6
[M+K]+ 207.03305 138.6
[M+H-H2O]+ 151.06715 125.9
[M+HCOO]- 213.06809 157.3
[M+CH3COO]- 227.08374 183.7
[M+Na-2H]- 189.04456 137.5
[M]+ 168.06934 129.3
[M]- 168.07044 129.3
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