CID 6604893

3,3'-difluorobenzaldazine

Structural Information

Molecular Formula
C14H10F2N2
SMILES
C1=CC(=CC(=C1)F)/C=N/N=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
InChIKey
YYMCVDNIIFNDJK-BEQMOXJMSA-N
Compound name
(E)-1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

19
Patents

244.0812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08848 150.8
[M+Na]+ 267.07042 159.4
[M-H]- 243.07392 157.8
[M+NH4]+ 262.11502 169.0
[M+K]+ 283.04436 155.0
[M+H-H2O]+ 227.07846 140.7
[M+HCOO]- 289.07940 178.5
[M+CH3COO]- 303.09505 201.6
[M+Na-2H]- 265.05587 157.9
[M]+ 244.08065 149.3
[M]- 244.08175 149.3
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