CID 2779359

18960-29-7

Structural Information

Molecular Formula
C9H10F3N5
SMILES
C1=CC(=CC=C1C(F)(F)F)N=C(N)N=C(N)N
InChI
InChI=1S/C9H10F3N5/c10-9(11,12)5-1-3-6(4-2-5)16-8(15)17-7(13)14/h1-4H,(H6,13,14,15,16,17)
InChIKey
YBEYVQONJZSGFJ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-[4-(trifluoromethyl)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

245.08884 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09612 146.0
[M+Na]+ 268.07806 150.2
[M+NH4]+ 263.12266 150.0
[M+K]+ 284.05200 147.7
[M-H]- 244.08156 144.6
[M+Na-2H]- 266.06351 149.4
[M]+ 245.08829 145.4
[M]- 245.08939 145.4
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