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

37
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 149.1
[M+Na]+ 268.07806 155.0
[M-H]- 244.08156 150.3
[M+NH4]+ 263.12266 165.3
[M+K]+ 284.05200 152.9
[M+H-H2O]+ 228.08610 139.0
[M+HCOO]- 290.08704 173.4
[M+CH3COO]- 304.10269 206.9
[M+Na-2H]- 266.06351 152.3
[M]+ 245.08829 139.3
[M]- 245.08939 139.3
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